Chemistry 392 Lecture Topics Spring 2004
Text: PHYSICAL CHEMISTRY A Molecular Approach
McQuarrie and Simon
A. Historically Significant Experiments (Chapter 1)
Blackbody Radiation
Photoelectric effect
Compton effect
DeBroglie Wavelength
Atomic spectra are not continuous (line spectra)
Heisenberg Uncertainty Principle
B. Particle on a line/in a box (Chapter 3)
Model
Classical expectations
Time dependent Schrodinger equation
Time independent Schrodinger equation
Wavefunction
Eigenvalue equation
Hamiltonian operator
Linear operator
Solution to time independent Schrodinger equation
Boundary conditions
Stationary states
Energy levels
Quantum number
Wavefunctions
Orthogonality
Normalization
Probability interpretation
Correspondence principle
Expectation values
Uncertainty principle
General time dependent solution
C. Particle in a plane/particle in a two dimensional box (not in text)
Time independent Schrodinger equation
Boundary conditions
Separability
Energy levels
Degeneracy
Wavefunctions
Orthogonality
Symmetry
Probability interpretation
General time dependent solution
D. Particle in a cube (Chapter 3)
Time independent Schrodinger equation
Boundary conditions
Separability
Energy levels
Degeneracy
Wavefunctions
Orthogonality
Symmetry
Probability interpretation
General time dependent solution
E. Harmonic oscillator (Chapter 5)
Model
Classical expectations
Time dependent Schrodinger equation
Time independent Schrodinger equation
Eigenvalue equation
Hamiltonian operator
Linear operator
Solution to time independent Schrodinger equation
Boundary conditions
Stationary states
Energy levels
Quantum number
Wavefunctions
Orthogonality
Normalization
Probability interpretation
Correspondence principle
Expectation values
Uncertainty principle
General time dependent solution
Diatomic molecules
F. Postulates & Principles of Quantum Mechanics (Chapter 4)
Postulate 1
Postulate 2
Postulate 3
Postulate 4
Postulate 5
Commuting operators
G. Rigid Rotor (Chapter 5)
Classical motion
Spherical coordinates
Moment of inertia
Angular momentum
Schrodinger equation
Separation of variables
Wavefunctions
Spherical harmonics
Energy levels
Linear molecules
Rotational spectroscopy
H. Hydrogen atom (Chapter 6)
Model
Time independent Schrodinger equation
Separation of variables
Energy levels
Degeneracy
Wavefunctions
Radial functions
Angular functions
s,p,d,f,g,…functions
Probability density
Radial distribution function
Contour surfaces
I. Approximation methods (Chapter 7)
Variation method
Trial function
Boundary conditions
Linear variation function
Secular determinant
Perturbation theory
J. Multielectron atoms (Chapter 8)
Atomic units
Hamiltonian Operator
Variational calculations on He atom
Electron spin
Hartree-Fock equations
Correlation energy
Antisymmetry principle
Slater determinants
Term symbols
Coupling of angular momenta
Equivalent versus non-equivalent electrons
Hund’s rules
K. Chemical bond & diatomic molecules (Chapter 9)
Born-Oppenheimer approximation
Schrodinger hamiltonian
Linear combination of atomic orbitals for H2+
Binding energy of H2+
Electronic configuration of first row diatomics
Photoelectron spectra
Heteronuclear diatomics
L. Bonding in polyatomic molecules (Chapter 10)
sp, sp2, sp3, Hybrid orbitals
Photoelectron spectra
Huckel theory
M. Molecular spectroscopy (Chapter 13)
Electromagnetic spectrum & molecular processes
Diatomic molecules
Rotation-vibration spectroscopy
Rotational spectroscopy
Anharmonicity in vibrational spectroscopy
Excited electronic states
Electronic spectra
N. Polyatomic molecules
Rotational spectra
Vibrational spectra / normal modes
Electronic spectra
Selection rules
O. Nuclear magnetic resonance spectroscopy (Chapter 14)
Nuclear spin
Nuclear magnetic moments
Energy levels for Nucleus in a magnetic field
Resonance condition
Chemical shifts
Spin-spin coupling
P. Lasers (Chapter 15)
Electronic relaxation processes
Dynamics of absorption and emission
Two level system
Three level system
Population inversion
Generic structure of a laser
Helium-neon laser